MMsINC Database Search


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MMsINC code: MMs03236268

Type: Neutral
Formula: C₂₄H₂₄N₆

SMILES:

n1nn(c2c1cccc2)C(n1nnc2c1cccc2)(CCCC)c1ccc(cc1)C

InChI:

InChI=1/C24H24N6/c1-3-4-17-24(19-15-13-18(2)14-16-19,29-22-11-7-5-9-20(22)25-27-29)30-23-12-8-6-10-21(23)26-28-30/h5-16H,3-4,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.743 kcal/mol

Physical Properties
Molecular Weight: 396.498 g/mol	logS: -6.368	SlogP: 5.23552	Reactive groups: 0

Topological Properties
Globularity: 0.439784	Sterimol/B1: 2.54139	Sterimol/B2: 4.18412	Sterimol/B3: 6.77499
Sterimol/B4: 9.82535	Sterimol/L: 14.347

Surface and Volume Properties
Accessible surface: 647.127	Positive charged surface: 368.643	Negative charged surface: 278.484	Volume: 392.25
Hydrophobic surface: 549.212	Hydrophilic surface: 97.915

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.